2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylbutanoic acid

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylbutanoic acid Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]sulfanylbutanoic acid CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]thio]butanoic acid IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]sulfanylbutanoic acid Traditional Name: 2-[(2-keto-2-methoxy-1-veratryl-ethyl)thio]butyric acid Formula: C16H22O6S MolecularWeight: 342.40728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC(CC1=CC(=C(C=C1)OC)OC)C(=O)OC

Isomeric SMILES

CCC(C(=O)O)SC(CC1=CC(=C(C=C1)OC)OC)C(=O)OC

InChI

InChI=1S/C16H22O6S/c1-5-13(15(17)18)23-14(16(19)22-4)9-10-6-7-11(20-2)12(8-10)21-3/h6-8,13-14H,5,9H2,1-4H3,(H,17,18)